The influence of water of crystallization in NIR-based MDMA·HCl detection

Kranenburg, Ruben F.; Ramaker, Henk‐Jan; Weesepoel, Yannick; Arisz, Peter W.F.; Keizers, Peter H. J.; Esch, Annette van; Uxem, Cathelijne Zieltjens – van; Berg, Jorrit D.J. van den; Hulshof, Janneke W.; Bakels, Sjors; Rijs, Anouk M.; Asten, Arian C. van

doi:10.1016/j.forc.2022.100464

Cited by 5 publications

(2 citation statements)

References 37 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Interestingly, the NIR signal for the NaClO 4 standard used in this study stood out as being significantly more detailed and different from the other chlorate and perchlorate salts. The reason for this is that this standard contains water of crystallization (sodium perchlorate monohydrate); this phenomenon has also been reported for salts of MDMA and heroin [40]. Although water of crystallization is not known for potassium nitrate, the NIR spectra of the nitrate salts in Figure 9 show sufficient detail and difference for unambiguous identification of the nitrate salt type.…”

Section: Nir Analysis Of Inorganic Oxidizers and Pyrotechnic Mixturesmentioning

confidence: 72%

“…Previously, this setup was successfully applied to identify and characterize an extensive set of frequently encountered drugs of abuse. High accuracy was achieved using a multi-stage chemometric model, which included a linear discrimination analysis (LDA) component and a net analyte signal (NAS) model [36][37][38][39][40]. To address the chemical diversity in the field of forensic explosive investigations, the data analysis strategy was further refined through a three-stage approach.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Rapid and On-Scene Chemical Identification of Intact Explosives with Portable Near-Infrared Spectroscopy and Multivariate Data Analysis

Damme

Mestres-Fitó

Ramaker³

et al. 2023

Sensors

Self Cite

View full text Add to dashboard Cite

There is an ongoing forensic and security need for rapid, on-scene, easy-to-use, non-invasive chemical identification of intact energetic materials at pre-explosion crime scenes. Recent technological advances in instrument miniaturization, wireless transfer and cloud storage of digital data, and multivariate data analysis have created new and very promising options for the use of near-infrared (NIR) spectroscopy in forensic science. This study shows that in addition to drugs of abuse, portable NIR spectroscopy with multivariate data analysis also offers excellent opportunities to identify intact energetic materials and mixtures. NIR is able to characterize a broad range of chemicals of interest in forensic explosive investigations, covering both organic and inorganic compounds. NIR characterization of actual forensic casework samples convincingly shows that this technique can handle the chemical diversity encountered in forensic explosive investigations. The detailed chemical information contained in the 1350–2550 nm NIR reflectance spectrum allows for correct compound identification within a given class of energetic materials, including nitro-aromatics, nitro-amines, nitrate esters, and peroxides. In addition, the detailed characterization of mixtures of energetic materials, such as plastic formulations containing PETN (pentaerythritol tetranitrate) and RDX (trinitro triazinane), is feasible. The results presented illustrate that the NIR spectra of energetic compounds and mixtures are sufficiently selective to prevent false-positive results for a broad range of food-related products, household chemicals, raw materials used for the production of home-made explosives, drugs of abuse, and products that are sometimes used to create hoax improvised explosive devices. However, for frequently encountered pyrotechnic mixtures, such as black powder, flash powder, and smokeless powder, and some basic inorganic raw materials, the application of NIR spectroscopy remains challenging. Another challenge is presented by casework samples of contaminated, aged, and degraded energetic materials or poor-quality HMEs (home-made explosives), for which the spectral signature deviates significantly from the reference spectra, potentially leading to false-negative outcomes.

show abstract

Section: Nir Analysis Of Inorganic Oxidizers and Pyrotechnic Mixturesmentioning

confidence: 72%